N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine

C10H18N2O — CID 142040765

IUPACN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
SMILESCNCCNC1=CC=C(OC)CC1
InChIInChI=1S/C10H18N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,11-12H,4,6-8H2,1-2H3
InChIKeyPXAJISFJSSSUAZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.00
Rot. Bonds5

About N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine

N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine (PubChem CID 142040765) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
PubChem CID142040765
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
SMILESCNCCNC1=CC=C(OC)CC1
InChIInChI=1S/C10H18N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,11-12H,4,6-8H2,1-2H3
InChIKeyPXAJISFJSSSUAZ-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 145513424
5-fluoro-2-N-(4-methoxybutyl)-1-N-methylcyclohexa-2,4-diene-1,2-diamine
CID 163593329
4-methoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68056392
4-ethoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68394016
5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202950
ethane;(3E,5E)-6-methoxy-N-propylhepta-3,5-dien-3-amine
CID 143108392

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine (CID 142040765) is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine is CNCCNC1=CC=C(OC)CC1.
What is the InChIKey of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine?
The InChIKey is PXAJISFJSSSUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11-7-8-12-9-3-5-10(13-2)6-4-9/h3,5,11-12H,4,6-8H2,1-2H3.
What are the key properties of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine?
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 142040765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).